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CHEBI:158201 - Ile-Arg-Trp

ChEBI IDCHEBI:158201
ChEBI NameIle-Arg-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35N7O4
Net Charge0
Average Mass473.578
Monoisotopic Mass473.27505
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C23H35N7O4/c1-3-13(2)19(24)21(32)29-17(9-6-10-27-23(25)26)20(31)30-18(22(33)34)11-14-12-28-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,28H,3,6,9-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t13-,17-,18-,19-/m0/s1
InChIKeyZXJFURYTPZMUNY-VKOGCVSHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Arg-Trp (CHEBI:158201) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid